7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Chemical Structure Depiction of
7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one
Compound characteristics
| Compound ID: | P666-2358 |
| Compound Name: | 7-[4-(2,5-dimethylphenyl)piperazine-1-sulfonyl]-4-ethyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1(2H)-one |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C21 H27 N5 O3 S |
| Smiles: | CCC1=NN(C)C(c2cc(cn12)S(N1CCN(CC1)c1cc(C)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9862 |
| logD: | 2.9857 |
| logSw: | -3.2181 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.904 |
| InChI Key: | NAPBFUBFIYEUHT-UHFFFAOYSA-N |